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CAS 125469-89-8 Methyl 3-Amino-2,2-dibenzylpropanoate molecular structure lightbox
CAS RN: 125469-89-8

Methyl 3-Amino-2,2-dibenzylpropanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-030201
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 125469-89-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry

125469-89-8 / methyl 2-(aminomethyl)-2-benzyl-3-phenylpropanoate

Standard CAS: 125469-89-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
125469-89-8
Multi CAS
No
Molecular Formula
C18H21NO2
Molecular Weight
283.400000
Exact Mass
283.157229
SMILES
COC(=O)C(CC1=CC=CC=C1)(CC2=CC=CC=C2)CN
InChI
InChI=1S/C18H21NO2/c1-21-17(20)18(14-19,12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,12-14,19H2,1H3
InChIKey
IJMGEQFKUATDAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.8
TPSA
52.32

LogP / Solubility

WLOGP
2.59
MLOGP
2.29
XLogP3
2.9
Consensus LogP
2.59
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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